2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C19H17BrN2O4S/c1-24-7-6-22-18(23)13-4-2-3-5-15(13)21-19(22)27-10-12-8-16-17(9-14(12)20)26-11-25-16/h2-5,8-9H,6-7,10-11H2,1H3